Information card for entry 7225293

Structure parameters

• Chemical name: ciclesonide methanol solvate
• Formula: C33 H48 O8
• Calculated formula: C33 H48 O8
• SMILES: O=C1C=C2[C@@](C=C1)(C)[C@@H]1[C@@H](CC2)[C@H]2[C@@](C[C@@H]1O)(C)[C@@]1(O[C@@H](O[C@@H]1C2)C1CCCCC1)C(=O)COC(=O)C(C)C.OC
• Title of publication: Crystal structure, thermal crystal form transformation, desolvation process and desolvation kinetics of two novel solvates of ciclesonide
• Authors of publication: Zhou, Li na; Yin, Qiuxiang; Du, Shichao; Hao, Hongxun; Li, Yanfeng; Mingyan, Liu; Hou, Baohong
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.0007 ± 0.0011 Å
• b: 11.0007 ± 0.0011 Å
• c: 25.559 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3093 ± 0.7 ų
• Cell temperature: 386 ± 2 K
• Ambient diffraction temperature: 386 ± 2 K
• Number of distinct elements: 3
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No